Zobrazeno 1 - 10
of 579
pro vyhledávání: '"P. C. Biggin"'
Autor:
Joanne L. Parker, Justin C. Deme, Simon M. Lichtinger, Gabriel Kuteyi, Philip C. Biggin, Susan M. Lea, Simon Newstead
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-14 (2024)
Abstract The uptake and elimination of beta-lactam antibiotics in the human body are facilitated by the proton-coupled peptide transporters PepT1 (SLC15A1) and PepT2 (SLC15A2). The mechanism by which SLC15 family transporters recognize and discrimina
Externí odkaz:
https://doaj.org/article/66b1ac35c95b49cdb878067a8315deb4
Autor:
Nikhil Bharambe, Zhuowen Li, David Seiferth, Asha Manikkoth Balakrishna, Philip C. Biggin, Sandip Basak
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-16 (2024)
Abstract GLIC, a proton-activated prokaryotic ligand-gated ion channel, served as a model system for understanding the eukaryotic counterparts due to their structural and functional similarities. Despite extensive studies conducted on GLIC, the molec
Externí odkaz:
https://doaj.org/article/3bd6a03aed1f435eb408bda9619f8fd6
Publikováno v:
eLife, Vol 13 (2024)
Proton-coupled oligopeptide transporters (POTs) are of great pharmaceutical interest owing to their promiscuous substrate binding site that has been linked to improved oral bioavailability of several classes of drugs. Members of the POT family are co
Externí odkaz:
https://doaj.org/article/a81effb883ee4d87878995426199639c
Autor:
Eric Gibbs, Emily Klemm, David Seiferth, Arvind Kumar, Serban L. Ilca, Philip C. Biggin, Sudha Chakrapani
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-15 (2023)
Glycine receptors (GlyR) are a critical postsynaptic component of spinal neurons. Here, the auhtors present cryo-EM structures of a heteromeric GlyR in the presence of an antagonist, agonist and agonist with a positive allosteric modulator.
Externí odkaz:
https://doaj.org/article/db781d0d4fdb4137a11e404a9029e982
Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs
Autor:
Arvind Kumar, Kayla Kindig, Shanlin Rao, Afroditi-Maria Zaki, Sandip Basak, Mark S. P. Sansom, Philip C. Biggin, Sudha Chakrapani
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-14 (2022)
Glycine receptors (GlyRs) mediate motor control and pain perception. Here, Kumar et al. present structures of GlyR bound to Δ9 -tetrahydrocannabinol (THC) using cryo-electron microscopy, providing insight into the therapeutic effects of cannabinoids
Externí odkaz:
https://doaj.org/article/d3b9441a73994d5ca3e63be0365623e0
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-16 (2022)
Abstract The ion channel TRPA1 is a promiscuous chemosensor, with reported response to a wide spectrum of noxious electrophilic irritants, as well as cold, heat, and mechanosensation. It is also implicated in the inception of itch and pain and has he
Externí odkaz:
https://doaj.org/article/d0b544e3f16642cb8fb78a30db404113
Autor:
Joanne L. Parker, Justin C. Deme, Dimitrios Kolokouris, Gabriel Kuteyi, Philip C. Biggin, Susan M. Lea, Simon Newstead
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
System xc- is a cystine transporter that is expressed in the plasma membrane and imports cystine in exchange for intracellular glutamate. Here, the authors present the cryo-EM structure of human system xc- both in the apo form and the glutamate bound
Externí odkaz:
https://doaj.org/article/014ea01a12f34079b4b5dbfabd780812
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-19 (2021)
Abstract Scoring functions for the prediction of protein-ligand binding affinity have seen renewed interest in recent years when novel machine learning and deep learning methods started to consistently outperform classical scoring functions. Here we
Externí odkaz:
https://doaj.org/article/7f4da096e1a94782b493f06d57758b6e
Publikováno v:
Frontiers in Bioinformatics, Vol 2 (2022)
The rapid and accurate in silico prediction of protein-ligand binding free energies or binding affinities has the potential to transform drug discovery. In recent years, there has been a rapid growth of interest in deep learning methods for the predi
Externí odkaz:
https://doaj.org/article/89fff38ec3314be196ff3d9f42d513ad
Autor:
Rocco Meli, Philip C. Biggin
Publikováno v:
Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-7 (2020)
Abstract Root mean square displacement (RMSD) calculations play a fundamental role in the comparison of different conformers of the same ligand. This is particularly important in the evaluation of protein-ligand docking, where different ligand poses
Externí odkaz:
https://doaj.org/article/d69c375583fc44a8ad0f760fdb780413